Processed databases
Atom-Mass pairs
Outputs for Coniferyl aldehyde; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
Database: Plant Science Center, RIKEN
Entry ID: PR100003
Synonyms: 4-Hydroxy-3-methoxycinnamaldehyde, Coniferyl aldehyde, Coniferaldehyde, Ferulaldehyde
Total mass: 178.1842
Formula: H10 C10 O3
Experimental information
MS type: MS2
Instrument: UPLC Q-Tof Premier, Waters
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 79.0555, 107.0512, 119.0506, 147.0458,
Processing time: 0:00:02.202469
Results for the quried mass "77.0402"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O1 | 0.021 | 1 | 0 | C2,C3,C7,C8,C10,O13 |
| C5O1 | 0.021 | 1 | 0 | C2,C3,C4,C6,C8,O11 |
| C5O1 | 0.021 | 1 | 0 | C2,C3,C6,C7,C8,O11 |
| C5O1 | 0.021 | 1 | 0 | C3,C4,C5,C8,C9,O12 |
| C5O1 | 0.021 | 1 | 0 | C3,C7,C8,C9,C10,O12 |
| C5O1 | 0.021 | 1 | 0 | C3,C4,C7,C8,C10,O13 |
| C5O1 | 0.021 | 1 | 0 | C3,C7,C8,C9,C10,O13 |
| C5O1 | 0.021 | 1 | 0 | C4,C7,C8,C9,C10,O12 |
| C5O1 | 0.021 | 1 | 0 | C4,C5,C7,C8,C10,O13 |
| C5O1 | 0.021 | 1 | 0 | C4,C5,C7,C9,C10,O13 |
| C5O1 | 0.021 | 1 | 0 | C4,C5,C7,C9,C10,O12 |
| C5O1 | 0.021 | 1 | 0 | C4,C5,C8,C9,C10,O13 |
| C5O1 | 0.021 | 1 | 0 | C4,C5,C7,C8,C9,O12 |
| C5O1 | 0.021 | 1 | 0 | C4,C7,C8,C9,C10,O13 |
| C5O1 | 0.021 | 1 | 0 | C5,C7,C8,C9,C10,O13 |
| C5O1 | 0.021 | 1 | 0 | C5,C7,C8,C9,C10,O12 |
| C5O1 | 0.021 | 1 | 0 | C4,C5,C8,C9,C10,O12 |
| C6 | 0.064 | 5 | 1 | C2,C3,C4,C5,C8,C9 |
| C6 | 0.064 | 5 | 2 | C2,C3,C7,C8,C9,C10 |
| C6 | 0.064 | 5 | 0 | C2,C3,C4,C5,C7,C8 |
| C6 | 0.064 | 5 | 0 | C2,C3,C4,C5,C6,C8 |
| C6 | 0.064 | 5 | 1 | C2,C3,C4,C7,C8,C10 |
| C6 | 0.064 | 5 | 1 | C2,C3,C6,C7,C8,C10 |
| C6 | 0.064 | 5 | 2 | C3,C5,C7,C8,C9,C10 |
| C6 | 0.064 | 5 | 2 | C3,C4,C5,C8,C9,C10 |
| C6 | 0.064 | 5 | 1 | C3,C4,C5,C7,C8,C10 |
| C6 | 0.064 | 5 | 1 | C3,C4,C5,C7,C8,C9 |
| C6 | 0.064 | 5 | 2 | C3,C4,C7,C8,C9,C10 |
| C6 | 0.064 | 5 | 0 | C2,C3,C4,C6,C7,C8 |
| C6 | 0.064 | 5 | 2 | C4,C5,C7,C8,C9,C10 |